1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C9H14F2N2O3S — CID 77169289

IUPAC1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)C2(N)CC2C(F)F)CC1
InChIInChI=1S/C9H14F2N2O3S/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyUHBJPNXGJDBGEK-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.03
Rot. Bonds4

About 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 77169289) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID77169289
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC Name1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)C2(N)CC2C(F)F)CC1
InChIInChI=1S/C9H14F2N2O3S/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyUHBJPNXGJDBGEK-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 77169289) is 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is CC1(S(=O)(=O)NC(=O)C2(N)CC2C(F)F)CC1.
What is the InChIKey of 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is UHBJPNXGJDBGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11/h5-6H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 77169289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).